N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]benzamide

C19H21ClN2O3S — CID 68875694

IUPACN-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]benzamide
SMILESCc1c(Cl)cccc1S(=O)(=O)[C@@]1(NC(=O)c2ccccc2)CCCNC1
InChIInChI=1S/C19H21ClN2O3S/c1-14-16(20)9-5-10-17(14)26(24,25)19(11-6-12-21-13-19)22-18(23)15-7-3-2-4-8-15/h2-5,7-10,21H,6,11-13H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyRJCLJUADGLRCJC-IBGZPJMESA-N
MW392.91 g/mol
LogP2.93
Rot. Bonds4

About N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]benzamide

N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]benzamide (PubChem CID 68875694) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]benzamide
PubChem CID68875694
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]benzamide
SMILESCc1c(Cl)cccc1S(=O)(=O)[C@@]1(NC(=O)c2ccccc2)CCCNC1
InChIInChI=1S/C19H21ClN2O3S/c1-14-16(20)9-5-10-17(14)26(24,25)19(11-6-12-21-13-19)22-18(23)15-7-3-2-4-8-15/h2-5,7-10,21H,6,11-13H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyRJCLJUADGLRCJC-IBGZPJMESA-N
XLogP2.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]benzamide?
The IUPAC name of N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]benzamide (CID 68875694) is N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]benzamide.
What is the SMILES notation for N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]benzamide?
The canonical SMILES for N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]benzamide is Cc1c(Cl)cccc1S(=O)(=O)[C@@]1(NC(=O)c2ccccc2)CCCNC1.
What is the InChIKey of N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]benzamide?
The InChIKey is RJCLJUADGLRCJC-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-14-16(20)9-5-10-17(14)26(24,25)19(11-6-12-21-13-19)22-18(23)15-7-3-2-4-8-15/h2-5,7-10,21H,6,11-13H2,1H3,(H,22,23)/t19-/m0/s1.
What are the key properties of N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]benzamide?
N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]benzamide has a molecular weight of 392.91 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]benzamide is sourced from PubChem (CID 68875694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).